1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine

C12H24N2O — CID 116522884

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
SMILESCC1CN(CC2CCC(C)(C)O2)CCN1
InChIInChI=1S/C12H24N2O/c1-10-8-14(7-6-13-10)9-11-4-5-12(2,3)15-11/h10-11,13H,4-9H2,1-3H3
InChIKeyGQSVEQBQCFTLKG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds2

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine

1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine (PubChem CID 116522884) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
PubChem CID116522884
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
SMILESCC1CN(CC2CCC(C)(C)O2)CCN1
InChIInChI=1S/C12H24N2O/c1-10-8-14(7-6-13-10)9-11-4-5-12(2,3)15-11/h10-11,13H,4-9H2,1-3H3
InChIKeyGQSVEQBQCFTLKG-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524417
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
CID 116524415
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 104889620
3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79351237
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
3-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylpyrrolidine
CID 130769945
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde
CID 116523854
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 104889632

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine (CID 116522884) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine is CC1CN(CC2CCC(C)(C)O2)CCN1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine?
The InChIKey is GQSVEQBQCFTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-8-14(7-6-13-10)9-11-4-5-12(2,3)15-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine?
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 116522884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).